ATOM 28
1 C1y C 23.7969 -18.7889
2 C1y C 23.8039 -20.1878
3 C1y C 22.5959 -20.8934
4 C1y C 21.3810 -20.2000
5 C1y C 21.3739 -18.8011
6 O2x O 22.5818 -18.0956
7 O1a O 25.0191 -20.8801
8 O1a O 22.6100 -22.2861
9 O1a O 20.1795 -20.8944
10 C1a C 20.1725 -18.0895
11 O2a O 25.0049 -18.0834
12 C8y C 27.4284 -18.0814
13 O2a O 27.4284 -19.4733
14 C1a C 28.6365 -20.1656
15 N5x N 29.8523 -18.0763
16 C8y C 29.8523 -15.2644
17 C8y C 28.6379 -15.9639
18 C8y C 28.6438 -17.3697
19 C8y C 26.2069 -17.3872
20 C8x C 26.2008 -15.9812
21 C8x C 27.4164 -15.2695
22 C8y C 31.0736 -17.3768
23 C8y C 31.0672 -15.9683
24 C8x C 32.3984 -15.5313
25 C8x C 33.2301 -16.6626
26 O2x O 32.4088 -17.8016
27 O2a O 29.7886 -13.8725
28 C1a C 28.6504 -13.1731
BOND 31
1 4 9 1 #Up
2 1 2 1
3 5 10 1 #Down
4 2 3 1
5 3 4 1
6 1 11 1 #Up
7 4 5 1
8 5 6 1
9 6 1 1
10 2 7 1 #Down
11 3 8 1 #Down
12 17 18 2
13 18 12 1
14 12 19 2
15 19 20 1
16 20 21 2
17 21 17 1
18 12 13 1
19 22 15 2
20 22 23 1
21 23 24 1
22 24 25 2
23 25 26 1
24 26 22 1
25 15 18 1
26 19 11 1
27 17 16 1
28 16 23 2
29 13 14 1
30 16 27 1
31 27 28 1
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